Molecule card · MolClass #36804
24825586
24825586: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 24825586Mitochondrial Fusion · compound_name
- MolClass ID
- 36804
- InChIKey
- TTYWEOPLDUJDCZ-UHFFFAOYSA-N
- Canonical SMILES
- Cc1cccc(c1)NC(=O)COn3nnc2ccc(cc23)S(C)(=O)=O
- Standard InChI
- InChI=1S/C16H16N4O4S/c1-11-4-3-5-12(8-11)17-16(21)10-24-20-15-9-13(25(2,22)23)6-7-14(15)18-19-20/h3-9H,10H2,1-2H3,(H,17,21)
- Stored Murcko scaffold
- n1nn(OC[CH]Nc2ccccc2)c3ccccc13
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 1
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 6
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 111.56 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 360.389 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 1.805
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 24825586